CID 3023595

Benzenesulfonic acid, 3-((8-hydroxy-7-quinolinyl)azo)-, monosodium salt

Structural Information

Molecular Formula
C15H11N3O4S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)O)N=NC2=C(C3=C(C=CC=N3)C=C2)O
InChI
InChI=1S/C15H11N3O4S/c19-15-13(7-6-10-3-2-8-16-14(10)15)18-17-11-4-1-5-12(9-11)23(20,21)22/h1-9,19H,(H,20,21,22)
InChIKey
VUNKATVRQRKUMB-UHFFFAOYSA-N
Compound name
3-[(8-hydroxyquinolin-7-yl)diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.04703 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.05431 170.4
[M+Na]+ 352.03625 183.6
[M+NH4]+ 347.08085 177.2
[M+K]+ 368.01019 175.8
[M-H]- 328.03975 174.3
[M+Na-2H]- 350.02170 179.0
[M]+ 329.04648 173.8
[M]- 329.04758 173.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.